Molecule

ID:71486

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂
Molecular Mass
138.21016
Exact Mass
138.11569846
Charge
0
InChI
InChI=1S/C8H14N2/c1-10-6-3-8(2-5-9)4-7-10/h8H,2-4,6-7H2,1H3
InChIKey
DMJIGGBWHGOSQX-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)CC#N
Isomeric Smiles
N1(CCC(CC1)CC#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.7301228
LogD (pH = 7.4)
-1.1767923
Log P
0.5098305
Molar Refractivity
41.9244
Polarizability
16.10553
Polar Surface Area
27.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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